(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C12H9F4NO2S — CID 106782148

IUPAC(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(C(O)c2cnc(C(F)(F)F)s2)cc1F
InChIInChI=1S/C12H9F4NO2S/c1-19-8-3-2-6(4-7(8)13)10(18)9-5-17-11(20-9)12(14,15)16/h2-5,10,18H,1H3
InChIKeyRQMBNUDSGUHRKG-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.39
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782148) has the molecular formula C12H9F4NO2S and a molecular weight of 307.27 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782148
Molecular FormulaC12H9F4NO2S
Molecular Weight307.27 g/mol
Exact Mass307.03
IUPAC Name(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(C(O)c2cnc(C(F)(F)F)s2)cc1F
InChIInChI=1S/C12H9F4NO2S/c1-19-8-3-2-6(4-7(8)13)10(18)9-5-17-11(20-9)12(14,15)16/h2-5,10,18H,1H3
InChIKeyRQMBNUDSGUHRKG-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782078
(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782057
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785356
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786008
(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686
1-(4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782941
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 113472302

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782148) is (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is COc1ccc(C(O)c2cnc(C(F)(F)F)s2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is RQMBNUDSGUHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO2S/c1-19-8-3-2-6(4-7(8)13)10(18)9-5-17-11(20-9)12(14,15)16/h2-5,10,18H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 307.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).